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- PDB-2mc7: Structure of Salmonella MgtR -

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Basic information

Entry
Database: PDB / ID: 2mc7
TitleStructure of Salmonella MgtR
ComponentsRegulatory peptide
KeywordsMEMBRANE PROTEIN / Transmembrane helical complex
Function / homologyProtein MgtR
Function and homology information
Biological speciesSalmonella typhimurium (bacteria)
MethodSOLID-STATE NMR / molecular dynamics
AuthorsJean-Francois, F. / Dai, J. / Yu, L. / Myrick, A. / Rubin, E. / Fajer, P. / Song, L. / Zhou, H. / Cross, T.
CitationJournal: J.Mol.Biol. / Year: 2014
Title: Binding of MgtR, a Salmonella Transmembrane Regulatory Peptide, to MgtC, a Mycobacterium tuberculosis Virulence Factor: A Structural Study.
Authors: Jean-Francois, F.L. / Dai, J. / Yu, L. / Myrick, A. / Rubin, E. / Fajer, P.G. / Song, L. / Zhou, H.X. / Cross, T.A.
History
DepositionAug 15, 2013Deposition site: BMRB / Processing site: RCSB
Revision 1.0Oct 30, 2013Provider: repository / Type: Initial release
Revision 1.1Nov 6, 2013Group: Database references
Revision 1.2Jan 22, 2014Group: Database references
Revision 1.3May 1, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Regulatory peptide


Theoretical massNumber of molelcules
Total (without water)3,4591
Polymers3,4591
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / 100target function
RepresentativeModel #1closest to the average

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Components

#1: Protein/peptide Regulatory peptide


Mass: 3459.344 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Salmonella typhimurium (bacteria) / References: UniProt: B0LJC7

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Experimental details

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Experiment

ExperimentMethod: SOLID-STATE NMR
Details: Structure of Transmembrane Regulatory Peptides MgtR
NMR experimentType: PISEMA

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Sample preparation

DetailsContents: 86% DMPC, 14% specific AA labels MgtR, 54% H2O/46% D2O
Solvent system: 54% H2O/46% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
84 %DMPC-11
16 %MgtR-2specific AA labels1
Sample conditionspH: 8.0 / Pressure: ambient / Temperature: 310 K

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NMR measurement

NMR spectrometerType: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 400 MHz

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Processing

NMR softwareName: X-PLOR NIH / Version: 2.29 / Developer: Schwieters, Kuszewski, Tjandra and Clore / Classification: refinement
RefinementMethod: molecular dynamics / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 1

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